USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -1.36! C(o=-2!,f=-6.7!) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.611! K(o=-2!,f=-3.8) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.0593 K(o=0.088,f=-1.2!) USER MOD Set 2.2: A 42 SER OG : rot -94:sc= 0.147 USER MOD Set 3.1: A 22 ASN : amide:sc= -1.85! C(o=-3.3!,f=-5!) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.46! C(o=-3.3!,f=-7.9!) USER MOD Single : A 1 ASP N :NH3+ -175:sc= 0.0154 (180deg=-0.0355) USER MOD Single : A 4 ASN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.236 (180deg=-0.838!) USER MOD Single : A 7 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= -1.05 (180deg=-3.31!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -6.56! C(o=-6.6!,f=-1.2!) USER MOD Single : A 27 GLN : amide:sc= -0.924 K(o=-0.92,f=-2.4) USER MOD Single : A 29 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.42) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0189 (180deg=-0.459) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.0878 (180deg=-0.623) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.27) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0576 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.179 2.990 86.078 1.00 4.00 N ATOM 2 CA ASP A 1 0.492 4.110 85.360 1.00 0.02 C ATOM 3 C ASP A 1 0.284 3.947 83.857 1.00 22.23 C ATOM 4 O ASP A 1 1.240 3.994 83.082 1.00 11.23 O ATOM 5 CB ASP A 1 1.988 4.094 85.680 1.00 4.31 C ATOM 6 CG ASP A 1 2.213 4.423 87.153 1.00 21.31 C ATOM 7 OD1 ASP A 1 1.273 4.873 87.788 1.00 62.33 O ATOM 8 OD2 ASP A 1 3.320 4.221 87.623 1.00 55.03 O ATOM 0 H1 ASP A 1 -0.111 3.145 87.104 1.00 4.00 H new ATOM 0 H2 ASP A 1 -1.180 2.950 85.800 1.00 4.00 H new ATOM 0 H3 ASP A 1 0.285 2.092 85.832 1.00 4.00 H new ATOM 0 HA ASP A 1 0.064 5.060 85.681 1.00 0.02 H new ATOM 0 HB2 ASP A 1 2.406 3.114 85.450 1.00 4.31 H new ATOM 0 HB3 ASP A 1 2.509 4.818 85.054 1.00 4.31 H new ATOM 15 N VAL A 2 -0.974 3.756 83.446 1.00 72.12 N ATOM 16 CA VAL A 2 -1.302 3.589 82.024 1.00 65.50 C ATOM 17 C VAL A 2 -2.198 4.727 81.546 1.00 40.21 C ATOM 18 O VAL A 2 -3.166 5.095 82.212 1.00 54.31 O ATOM 19 CB VAL A 2 -2.021 2.256 81.818 1.00 42.24 C ATOM 20 CG1 VAL A 2 -2.269 2.034 80.325 1.00 71.33 C ATOM 21 CG2 VAL A 2 -1.152 1.120 82.364 1.00 32.35 C ATOM 0 H VAL A 2 -1.778 3.713 84.072 1.00 72.12 H new ATOM 0 HA VAL A 2 -0.377 3.603 81.448 1.00 65.50 H new ATOM 0 HB VAL A 2 -2.975 2.272 82.346 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -2.782 1.083 80.179 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -2.886 2.843 79.934 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -1.316 2.017 79.796 1.00 71.33 H new ATOM 0 HG21 VAL A 2 -1.663 0.168 82.218 1.00 32.35 H new ATOM 0 HG22 VAL A 2 -0.199 1.105 81.835 1.00 32.35 H new ATOM 0 HG23 VAL A 2 -0.974 1.277 83.428 1.00 32.35 H new ATOM 31 N ASP A 3 -1.860 5.282 80.386 1.00 64.54 N ATOM 32 CA ASP A 3 -2.627 6.384 79.813 1.00 51.40 C ATOM 33 C ASP A 3 -4.002 5.922 79.327 1.00 55.22 C ATOM 34 O ASP A 3 -4.156 4.815 78.811 1.00 31.52 O ATOM 35 CB ASP A 3 -1.853 7.018 78.660 1.00 2.12 C ATOM 36 CG ASP A 3 -0.587 7.682 79.189 1.00 2.21 C ATOM 37 OD1 ASP A 3 -0.483 7.841 80.394 1.00 31.33 O ATOM 38 OD2 ASP A 3 0.262 8.024 78.381 1.00 53.33 O ATOM 0 H ASP A 3 -1.061 4.987 79.825 1.00 64.54 H new ATOM 0 HA ASP A 3 -2.781 7.124 80.598 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -1.595 6.258 77.922 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -2.476 7.755 78.154 1.00 2.12 H new ATOM 43 N ASN A 4 -4.992 6.792 79.498 1.00 21.22 N ATOM 44 CA ASN A 4 -6.367 6.511 79.083 1.00 74.53 C ATOM 45 C ASN A 4 -6.577 6.872 77.609 1.00 2.31 C ATOM 46 O ASN A 4 -7.705 6.876 77.116 1.00 73.04 O ATOM 47 CB ASN A 4 -7.347 7.301 79.954 1.00 35.42 C ATOM 48 CG ASN A 4 -7.141 6.942 81.422 1.00 15.25 C ATOM 49 OD1 ASN A 4 -7.100 7.825 82.279 1.00 73.42 O ATOM 50 ND2 ASN A 4 -7.009 5.690 81.766 1.00 41.51 N ATOM 0 H ASN A 4 -4.867 7.709 79.926 1.00 21.22 H new ATOM 0 HA ASN A 4 -6.550 5.444 79.207 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -7.197 8.371 79.807 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -8.372 7.079 79.657 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -6.872 5.442 82.746 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -7.043 4.959 81.055 1.00 41.51 H new ATOM 57 N LYS A 5 -5.487 7.210 76.929 1.00 24.34 N ATOM 58 CA LYS A 5 -5.548 7.619 75.523 1.00 63.52 C ATOM 59 C LYS A 5 -5.733 6.424 74.586 1.00 65.42 C ATOM 60 O LYS A 5 -5.786 6.593 73.367 1.00 22.02 O ATOM 61 CB LYS A 5 -4.281 8.391 75.133 1.00 32.14 C ATOM 62 CG LYS A 5 -3.066 7.458 75.111 1.00 62.41 C ATOM 63 CD LYS A 5 -1.804 8.285 74.846 1.00 65.43 C ATOM 64 CE LYS A 5 -0.635 7.357 74.505 1.00 5.34 C ATOM 65 NZ LYS A 5 -0.242 6.587 75.719 1.00 2.24 N ATOM 0 H LYS A 5 -4.547 7.210 77.326 1.00 24.34 H new ATOM 0 HA LYS A 5 -6.417 8.268 75.415 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -4.414 8.847 74.152 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -4.111 9.202 75.841 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -2.978 6.932 76.062 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -3.188 6.700 74.338 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -1.980 8.980 74.025 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -1.560 8.884 75.723 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -0.920 6.674 73.705 1.00 5.34 H new ATOM 0 HE3 LYS A 5 0.211 7.939 74.141 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 0.699 6.169 75.575 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -0.216 7.224 76.541 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -0.935 5.830 75.889 1.00 2.24 H new ATOM 79 N PHE A 6 -5.818 5.216 75.146 1.00 34.42 N ATOM 80 CA PHE A 6 -5.981 4.005 74.328 1.00 65.23 C ATOM 81 C PHE A 6 -7.429 3.524 74.375 1.00 31.13 C ATOM 82 O PHE A 6 -8.066 3.523 75.428 1.00 43.25 O ATOM 83 CB PHE A 6 -5.076 2.878 74.837 1.00 73.01 C ATOM 84 CG PHE A 6 -3.624 3.271 74.708 1.00 30.30 C ATOM 85 CD1 PHE A 6 -2.968 3.121 73.480 1.00 30.30 C ATOM 86 CD2 PHE A 6 -2.925 3.760 75.818 1.00 1.34 C ATOM 87 CE1 PHE A 6 -1.616 3.461 73.361 1.00 32.22 C ATOM 88 CE2 PHE A 6 -1.573 4.102 75.698 1.00 5.13 C ATOM 89 CZ PHE A 6 -0.917 3.952 74.469 1.00 14.35 C ATOM 0 H PHE A 6 -5.778 5.047 76.151 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.706 4.258 73.304 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -5.309 2.658 75.879 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -5.265 1.967 74.269 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -3.506 2.742 72.624 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -3.429 3.873 76.767 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -1.112 3.344 72.413 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -1.035 4.482 76.554 1.00 5.13 H new ATOM 0 HZ PHE A 6 0.126 4.215 74.377 1.00 14.35 H new ATOM 99 N ASN A 7 -7.948 3.140 73.204 1.00 24.33 N ATOM 100 CA ASN A 7 -9.334 2.682 73.073 1.00 2.44 C ATOM 101 C ASN A 7 -9.400 1.161 73.016 1.00 4.24 C ATOM 102 O ASN A 7 -8.525 0.504 72.447 1.00 63.22 O ATOM 103 CB ASN A 7 -9.953 3.266 71.801 1.00 1.34 C ATOM 104 CG ASN A 7 -9.934 4.790 71.863 1.00 61.41 C ATOM 105 OD1 ASN A 7 -9.575 5.448 70.887 1.00 31.24 O ATOM 106 ND2 ASN A 7 -10.302 5.392 72.960 1.00 44.11 N ATOM 0 H ASN A 7 -7.425 3.138 72.329 1.00 24.33 H new ATOM 0 HA ASN A 7 -9.892 3.023 73.945 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -9.400 2.923 70.927 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.978 2.911 71.689 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -10.293 6.411 73.010 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -10.599 4.844 73.767 1.00 44.11 H new ATOM 113 N LYS A 8 -10.436 0.608 73.636 1.00 61.30 N ATOM 114 CA LYS A 8 -10.607 -0.836 73.689 1.00 61.55 C ATOM 115 C LYS A 8 -10.670 -1.456 72.297 1.00 72.40 C ATOM 116 O LYS A 8 -10.180 -2.567 72.095 1.00 42.23 O ATOM 117 CB LYS A 8 -11.901 -1.167 74.435 1.00 32.14 C ATOM 118 CG LYS A 8 -11.786 -0.724 75.894 1.00 14.23 C ATOM 119 CD LYS A 8 -13.098 -1.030 76.630 1.00 51.30 C ATOM 120 CE LYS A 8 -13.310 -2.550 76.748 1.00 52.51 C ATOM 121 NZ LYS A 8 -14.028 -3.044 75.539 1.00 71.20 N ATOM 0 H LYS A 8 -11.168 1.138 74.108 1.00 61.30 H new ATOM 0 HA LYS A 8 -9.743 -1.251 74.207 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -12.744 -0.667 73.959 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -12.097 -2.238 74.385 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -10.957 -1.241 76.377 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -11.569 0.343 75.945 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -13.077 -0.582 77.623 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -13.935 -0.581 76.095 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -12.350 -3.056 76.846 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -13.885 -2.780 77.645 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -14.877 -3.570 75.830 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -14.308 -2.236 74.947 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.401 -3.671 74.995 1.00 71.20 H new ATOM 135 N GLU A 9 -11.273 -0.764 71.333 1.00 72.23 N ATOM 136 CA GLU A 9 -11.358 -1.332 69.993 1.00 15.52 C ATOM 137 C GLU A 9 -9.964 -1.544 69.411 1.00 22.04 C ATOM 138 O GLU A 9 -9.715 -2.531 68.720 1.00 4.12 O ATOM 139 CB GLU A 9 -12.159 -0.401 69.078 1.00 2.22 C ATOM 140 CG GLU A 9 -13.604 -0.311 69.575 1.00 55.14 C ATOM 141 CD GLU A 9 -14.426 0.560 68.631 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.834 1.175 67.758 1.00 35.20 O ATOM 143 OE2 GLU A 9 -15.634 0.603 68.795 1.00 40.33 O ATOM 0 H GLU A 9 -11.695 0.157 71.448 1.00 72.23 H new ATOM 0 HA GLU A 9 -11.862 -2.296 70.060 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -11.706 0.590 69.065 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -12.138 -0.775 68.054 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -14.040 -1.308 69.635 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -13.626 0.107 70.581 1.00 55.14 H new ATOM 150 N GLN A 10 -9.047 -0.630 69.722 1.00 44.42 N ATOM 151 CA GLN A 10 -7.673 -0.755 69.248 1.00 55.14 C ATOM 152 C GLN A 10 -7.052 -2.050 69.761 1.00 44.55 C ATOM 153 O GLN A 10 -6.270 -2.705 69.068 1.00 74.40 O ATOM 154 CB GLN A 10 -6.835 0.438 69.715 1.00 42.31 C ATOM 155 CG GLN A 10 -5.460 0.392 69.041 1.00 54.11 C ATOM 156 CD GLN A 10 -4.570 1.498 69.595 1.00 24.14 C ATOM 157 OE1 GLN A 10 -4.282 1.520 70.790 1.00 71.44 O ATOM 158 NE2 GLN A 10 -4.116 2.421 68.792 1.00 70.02 N ATOM 0 H GLN A 10 -9.228 0.195 70.293 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.687 -0.773 68.158 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.342 1.371 69.468 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -6.721 0.414 70.799 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -4.995 -0.579 69.211 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.570 0.509 67.963 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -4.357 2.399 67.801 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -3.520 3.165 69.155 1.00 70.02 H new ATOM 167 N GLN A 11 -7.394 -2.391 71.000 1.00 23.31 N ATOM 168 CA GLN A 11 -6.853 -3.586 71.635 1.00 35.21 C ATOM 169 C GLN A 11 -7.131 -4.835 70.809 1.00 31.32 C ATOM 170 O GLN A 11 -6.290 -5.730 70.726 1.00 14.42 O ATOM 171 CB GLN A 11 -7.466 -3.752 73.028 1.00 43.44 C ATOM 172 CG GLN A 11 -6.752 -4.879 73.775 1.00 25.43 C ATOM 173 CD GLN A 11 -7.340 -5.025 75.175 1.00 5.02 C ATOM 174 OE1 GLN A 11 -8.156 -4.206 75.596 1.00 45.33 O ATOM 175 NE2 GLN A 11 -6.972 -6.028 75.926 1.00 62.12 N ATOM 0 H GLN A 11 -8.041 -1.858 71.582 1.00 23.31 H new ATOM 0 HA GLN A 11 -5.773 -3.463 71.712 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -7.380 -2.820 73.587 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -8.529 -3.976 72.943 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -6.858 -5.815 73.227 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -5.685 -4.666 73.839 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -6.295 -6.706 75.576 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -7.361 -6.133 76.863 1.00 62.12 H new ATOM 184 N ASN A 12 -8.311 -4.902 70.201 1.00 13.41 N ATOM 185 CA ASN A 12 -8.654 -6.066 69.396 1.00 72.10 C ATOM 186 C ASN A 12 -7.610 -6.304 68.312 1.00 64.04 C ATOM 187 O ASN A 12 -7.253 -7.448 68.019 1.00 71.12 O ATOM 188 CB ASN A 12 -10.022 -5.861 68.743 1.00 65.50 C ATOM 189 CG ASN A 12 -10.463 -7.141 68.040 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.422 -7.221 66.812 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.882 -8.152 68.748 1.00 22.34 N ATOM 0 H ASN A 12 -9.031 -4.181 70.248 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.684 -6.936 70.052 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.756 -5.580 69.498 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -9.973 -5.041 68.026 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -11.177 -9.012 68.285 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.915 -8.083 69.765 1.00 22.34 H new ATOM 198 N ALA A 13 -7.119 -5.222 67.716 1.00 31.21 N ATOM 199 CA ALA A 13 -6.118 -5.349 66.666 1.00 71.52 C ATOM 200 C ALA A 13 -4.833 -5.966 67.205 1.00 24.53 C ATOM 201 O ALA A 13 -4.175 -6.749 66.520 1.00 54.55 O ATOM 202 CB ALA A 13 -5.822 -3.966 66.067 1.00 63.24 C ATOM 0 H ALA A 13 -7.392 -4.265 67.937 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.512 -6.008 65.892 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -5.073 -4.063 65.281 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.737 -3.548 65.647 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.446 -3.304 66.847 1.00 63.24 H new ATOM 208 N PHE A 14 -4.479 -5.608 68.435 1.00 65.22 N ATOM 209 CA PHE A 14 -3.262 -6.137 69.038 1.00 35.44 C ATOM 210 C PHE A 14 -3.255 -7.648 69.140 1.00 4.41 C ATOM 211 O PHE A 14 -2.252 -8.296 68.838 1.00 71.43 O ATOM 212 CB PHE A 14 -3.137 -5.597 70.461 1.00 55.01 C ATOM 213 CG PHE A 14 -1.837 -6.067 71.068 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.664 -5.327 70.883 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.814 -7.248 71.835 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.535 -5.765 71.458 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.615 -7.680 72.409 1.00 42.42 C ATOM 218 CZ PHE A 14 0.560 -6.941 72.220 1.00 2.31 C ATOM 0 H PHE A 14 -5.007 -4.965 69.025 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.439 -5.828 68.394 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.173 -4.508 70.452 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.977 -5.939 71.066 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.683 -4.420 70.298 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.720 -7.818 71.979 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.442 -5.196 71.314 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.594 -8.584 72.999 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.486 -7.278 72.662 1.00 2.31 H new ATOM 228 N TRP A 15 -4.352 -8.202 69.618 1.00 12.23 N ATOM 229 CA TRP A 15 -4.416 -9.633 69.809 1.00 25.15 C ATOM 230 C TRP A 15 -4.194 -10.386 68.502 1.00 25.25 C ATOM 231 O TRP A 15 -3.562 -11.442 68.478 1.00 74.33 O ATOM 232 CB TRP A 15 -5.754 -10.040 70.421 1.00 34.13 C ATOM 233 CG TRP A 15 -5.625 -11.441 70.904 1.00 51.05 C ATOM 234 CD1 TRP A 15 -5.173 -11.752 72.135 1.00 42.54 C ATOM 235 CD2 TRP A 15 -5.891 -12.704 70.228 1.00 12.12 C ATOM 236 NE1 TRP A 15 -5.133 -13.115 72.266 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.577 -13.756 71.123 1.00 34.20 C ATOM 238 CE3 TRP A 15 -6.370 -13.040 68.950 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -5.730 -15.094 70.760 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -6.528 -14.387 68.582 1.00 73.32 C ATOM 241 CH2 TRP A 15 -6.209 -15.411 69.486 1.00 14.45 C ATOM 0 H TRP A 15 -5.196 -7.692 69.877 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.614 -9.901 70.497 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.016 -9.375 71.244 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -6.552 -9.962 69.682 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -4.888 -11.041 72.896 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -4.814 -13.599 73.105 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -6.618 -12.259 68.247 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -5.480 -15.879 71.458 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -6.897 -14.635 67.598 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -6.334 -16.444 69.198 1.00 14.45 H new ATOM 252 N GLU A 16 -4.766 -9.852 67.424 1.00 74.21 N ATOM 253 CA GLU A 16 -4.676 -10.501 66.120 1.00 41.10 C ATOM 254 C GLU A 16 -3.245 -10.612 65.611 1.00 51.32 C ATOM 255 O GLU A 16 -2.900 -11.583 64.936 1.00 41.00 O ATOM 256 CB GLU A 16 -5.506 -9.711 65.099 1.00 2.25 C ATOM 257 CG GLU A 16 -6.998 -9.760 65.464 1.00 70.52 C ATOM 258 CD GLU A 16 -7.523 -11.194 65.434 1.00 51.23 C ATOM 259 OE1 GLU A 16 -6.879 -12.033 64.825 1.00 3.24 O ATOM 260 OE2 GLU A 16 -8.577 -11.429 66.002 1.00 0.43 O ATOM 0 H GLU A 16 -5.293 -8.978 67.428 1.00 74.21 H new ATOM 0 HA GLU A 16 -5.061 -11.514 66.241 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.167 -8.676 65.069 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.356 -10.124 64.102 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.147 -9.335 66.457 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.567 -9.146 64.766 1.00 70.52 H new ATOM 267 N ILE A 17 -2.414 -9.622 65.904 1.00 1.12 N ATOM 268 CA ILE A 17 -1.044 -9.671 65.416 1.00 74.12 C ATOM 269 C ILE A 17 -0.334 -10.908 65.951 1.00 52.43 C ATOM 270 O ILE A 17 0.381 -11.593 65.221 1.00 71.24 O ATOM 271 CB ILE A 17 -0.289 -8.415 65.870 1.00 31.21 C ATOM 272 CG1 ILE A 17 -1.040 -7.139 65.436 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.107 -8.414 65.246 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.525 -7.237 63.985 1.00 11.10 C ATOM 0 H ILE A 17 -2.653 -8.800 66.459 1.00 1.12 H new ATOM 0 HA ILE A 17 -1.063 -9.716 64.327 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.216 -8.425 66.958 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.893 -6.976 66.095 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.384 -6.275 65.544 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.648 -7.523 65.566 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.650 -9.303 65.567 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.020 -8.415 64.159 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -2.049 -6.321 63.714 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.669 -7.374 63.324 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -2.202 -8.086 63.884 1.00 11.10 H new ATOM 286 N LEU A 18 -0.543 -11.194 67.231 1.00 13.32 N ATOM 287 CA LEU A 18 0.074 -12.359 67.852 1.00 64.35 C ATOM 288 C LEU A 18 -0.401 -13.660 67.211 1.00 73.55 C ATOM 289 O LEU A 18 0.352 -14.630 67.117 1.00 1.11 O ATOM 290 CB LEU A 18 -0.267 -12.387 69.347 1.00 23.24 C ATOM 291 CG LEU A 18 0.197 -11.092 70.038 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.059 -11.210 71.545 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.700 -10.855 69.793 1.00 62.50 C ATOM 0 H LEU A 18 -1.130 -10.640 67.854 1.00 13.32 H new ATOM 0 HA LEU A 18 1.151 -12.279 67.707 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.342 -12.509 69.477 1.00 23.24 H new ATOM 0 HB3 LEU A 18 0.210 -13.247 69.817 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.361 -10.251 69.625 1.00 32.10 H new ATOM 0 HD11 LEU A 18 0.267 -10.296 72.042 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.124 -11.359 71.723 1.00 51.45 H new ATOM 0 HD13 LEU A 18 0.498 -12.058 71.943 1.00 51.45 H new ATOM 0 HD21 LEU A 18 2.009 -9.935 70.289 1.00 62.50 H new ATOM 0 HD22 LEU A 18 2.271 -11.693 70.194 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.885 -10.769 68.722 1.00 62.50 H new ATOM 305 N HIS A 19 -1.673 -13.689 66.825 1.00 44.31 N ATOM 306 CA HIS A 19 -2.266 -14.895 66.256 1.00 21.24 C ATOM 307 C HIS A 19 -1.575 -15.398 64.985 1.00 30.12 C ATOM 308 O HIS A 19 -1.342 -16.589 64.860 1.00 12.43 O ATOM 309 CB HIS A 19 -3.740 -14.635 65.947 1.00 12.43 C ATOM 310 CG HIS A 19 -4.381 -15.907 65.463 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.541 -17.012 66.285 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.907 -16.265 64.247 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.140 -17.974 65.559 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.386 -17.571 64.310 1.00 31.43 N ATOM 0 H HIS A 19 -2.310 -12.896 66.895 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.141 -15.676 67.006 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.252 -14.273 66.839 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.832 -13.857 65.189 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.944 -15.630 63.374 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.391 -18.953 65.940 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.829 -18.105 63.563 1.00 31.43 H new ATOM 323 N LEU A 20 -1.259 -14.490 64.055 1.00 53.41 N ATOM 324 CA LEU A 20 -0.633 -14.866 62.766 1.00 33.53 C ATOM 325 C LEU A 20 0.338 -16.052 62.916 1.00 54.01 C ATOM 326 O LEU A 20 1.526 -15.833 63.164 1.00 31.14 O ATOM 327 CB LEU A 20 0.147 -13.668 62.200 1.00 25.23 C ATOM 328 CG LEU A 20 -0.665 -12.372 62.317 1.00 15.11 C ATOM 329 CD1 LEU A 20 0.161 -11.210 61.762 1.00 11.51 C ATOM 330 CD2 LEU A 20 -1.956 -12.495 61.508 1.00 14.15 C ATOM 0 H LEU A 20 -1.423 -13.489 64.163 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.437 -15.162 62.092 1.00 33.53 H new ATOM 0 HB2 LEU A 20 1.090 -13.559 62.736 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.394 -13.853 61.154 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.908 -12.193 63.364 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.411 -10.286 61.842 1.00 11.51 H new ATOM 0 HD12 LEU A 20 1.085 -11.115 62.332 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.398 -11.400 60.715 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.529 -11.572 61.595 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -1.713 -12.675 60.461 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.548 -13.326 61.891 1.00 14.15 H new ATOM 342 N PRO A 21 -0.112 -17.303 62.810 1.00 5.43 N ATOM 343 CA PRO A 21 0.814 -18.466 63.007 1.00 4.55 C ATOM 344 C PRO A 21 1.887 -18.572 61.917 1.00 42.01 C ATOM 345 O PRO A 21 3.030 -18.946 62.180 1.00 40.55 O ATOM 346 CB PRO A 21 -0.125 -19.684 63.004 1.00 51.03 C ATOM 347 CG PRO A 21 -1.307 -19.264 62.187 1.00 52.01 C ATOM 348 CD PRO A 21 -1.479 -17.755 62.417 1.00 10.12 C ATOM 0 HA PRO A 21 1.390 -18.373 63.928 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.363 -20.557 62.571 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.422 -19.955 64.017 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.146 -19.480 61.131 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.202 -19.808 62.490 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.825 -17.249 61.516 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.210 -17.549 63.199 1.00 10.12 H new ATOM 356 N ASN A 22 1.487 -18.244 60.692 1.00 21.44 N ATOM 357 CA ASN A 22 2.378 -18.301 59.534 1.00 1.13 C ATOM 358 C ASN A 22 3.608 -17.413 59.686 1.00 54.44 C ATOM 359 O ASN A 22 4.680 -17.722 59.167 1.00 64.32 O ATOM 360 CB ASN A 22 1.619 -17.903 58.269 1.00 64.41 C ATOM 361 CG ASN A 22 0.519 -18.917 57.972 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.533 -20.024 58.508 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.431 -18.608 57.130 1.00 41.12 N ATOM 0 H ASN A 22 0.541 -17.932 60.473 1.00 21.44 H new ATOM 0 HA ASN A 22 2.728 -19.331 59.460 1.00 1.13 H new ATOM 0 HB2 ASN A 22 1.185 -16.911 58.394 1.00 64.41 H new ATOM 0 HB3 ASN A 22 2.308 -17.846 57.426 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.163 -19.285 56.916 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.441 -17.689 56.687 1.00 41.12 H new ATOM 370 N LEU A 23 3.423 -16.278 60.349 1.00 72.44 N ATOM 371 CA LEU A 23 4.490 -15.294 60.518 1.00 24.15 C ATOM 372 C LEU A 23 5.250 -15.477 61.825 1.00 4.35 C ATOM 373 O LEU A 23 4.665 -15.790 62.861 1.00 20.33 O ATOM 374 CB LEU A 23 3.903 -13.874 60.454 1.00 62.31 C ATOM 375 CG LEU A 23 3.287 -13.584 59.060 1.00 5.24 C ATOM 376 CD1 LEU A 23 1.881 -14.221 58.889 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.194 -12.059 58.860 1.00 50.21 C ATOM 0 H LEU A 23 2.538 -16.013 60.782 1.00 72.44 H new ATOM 0 HA LEU A 23 5.201 -15.445 59.705 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.139 -13.758 61.223 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.684 -13.145 60.668 1.00 62.31 H new ATOM 0 HG LEU A 23 3.936 -14.032 58.308 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.494 -13.988 57.897 1.00 2.41 H new ATOM 0 HD12 LEU A 23 1.955 -15.302 59.005 1.00 2.41 H new ATOM 0 HD13 LEU A 23 1.206 -13.820 59.645 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.762 -11.846 57.882 1.00 50.21 H new ATOM 0 HD22 LEU A 23 2.563 -11.628 59.637 1.00 50.21 H new ATOM 0 HD23 LEU A 23 4.191 -11.623 58.919 1.00 50.21 H new ATOM 389 N ASN A 24 6.569 -15.262 61.764 1.00 53.33 N ATOM 390 CA ASN A 24 7.414 -15.389 62.947 1.00 34.12 C ATOM 391 C ASN A 24 7.349 -14.106 63.769 1.00 21.20 C ATOM 392 O ASN A 24 6.753 -13.116 63.345 1.00 4.03 O ATOM 393 CB ASN A 24 8.864 -15.706 62.555 1.00 54.45 C ATOM 394 CG ASN A 24 9.532 -14.511 61.882 1.00 14.24 C ATOM 395 OD1 ASN A 24 10.703 -14.587 61.510 1.00 52.10 O ATOM 396 ND2 ASN A 24 8.861 -13.411 61.691 1.00 10.10 N ATOM 0 H ASN A 24 7.067 -15.001 60.913 1.00 53.33 H new ATOM 0 HA ASN A 24 7.044 -16.217 63.552 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.429 -15.988 63.443 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.881 -16.562 61.881 1.00 54.45 H new ATOM 0 HD21 ASN A 24 9.306 -12.615 61.234 1.00 10.10 H new ATOM 0 HD22 ASN A 24 7.891 -13.346 61.998 1.00 10.10 H new ATOM 403 N GLU A 25 7.922 -14.143 64.961 1.00 2.50 N ATOM 404 CA GLU A 25 7.879 -12.994 65.858 1.00 70.01 C ATOM 405 C GLU A 25 8.491 -11.718 65.257 1.00 23.41 C ATOM 406 O GLU A 25 8.025 -10.623 65.562 1.00 54.44 O ATOM 407 CB GLU A 25 8.613 -13.352 67.158 1.00 41.34 C ATOM 408 CG GLU A 25 8.465 -12.224 68.189 1.00 14.41 C ATOM 409 CD GLU A 25 9.279 -12.556 69.435 1.00 31.22 C ATOM 410 OE1 GLU A 25 9.921 -13.593 69.442 1.00 53.54 O ATOM 411 OE2 GLU A 25 9.247 -11.766 70.366 1.00 60.43 O ATOM 0 H GLU A 25 8.421 -14.952 65.331 1.00 2.50 H new ATOM 0 HA GLU A 25 6.828 -12.772 66.043 1.00 70.01 H new ATOM 0 HB2 GLU A 25 8.211 -14.280 67.565 1.00 41.34 H new ATOM 0 HB3 GLU A 25 9.669 -13.526 66.950 1.00 41.34 H new ATOM 0 HG2 GLU A 25 8.805 -11.281 67.762 1.00 14.41 H new ATOM 0 HG3 GLU A 25 7.415 -12.095 68.453 1.00 14.41 H new ATOM 418 N GLU A 26 9.548 -11.824 64.450 1.00 15.03 N ATOM 419 CA GLU A 26 10.157 -10.599 63.919 1.00 73.00 C ATOM 420 C GLU A 26 9.165 -9.780 63.082 1.00 60.10 C ATOM 421 O GLU A 26 9.126 -8.547 63.182 1.00 20.24 O ATOM 422 CB GLU A 26 11.376 -10.969 63.062 1.00 33.15 C ATOM 423 CG GLU A 26 12.118 -9.703 62.609 1.00 23.24 C ATOM 424 CD GLU A 26 12.778 -9.030 63.807 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.049 -9.720 64.776 1.00 33.33 O ATOM 426 OE2 GLU A 26 13.004 -7.833 63.738 1.00 64.52 O ATOM 0 H GLU A 26 9.985 -12.699 64.159 1.00 15.03 H new ATOM 0 HA GLU A 26 10.462 -9.981 64.764 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.049 -11.608 63.633 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.056 -11.541 62.191 1.00 33.15 H new ATOM 0 HG2 GLU A 26 12.872 -9.960 61.865 1.00 23.24 H new ATOM 0 HG3 GLU A 26 11.421 -9.014 62.132 1.00 23.24 H new ATOM 433 N GLN A 27 8.333 -10.450 62.290 1.00 53.11 N ATOM 434 CA GLN A 27 7.342 -9.725 61.504 1.00 10.33 C ATOM 435 C GLN A 27 6.379 -8.972 62.400 1.00 42.41 C ATOM 436 O GLN A 27 5.933 -7.874 62.065 1.00 34.43 O ATOM 437 CB GLN A 27 6.566 -10.666 60.585 1.00 64.43 C ATOM 438 CG GLN A 27 7.506 -11.269 59.537 1.00 31.30 C ATOM 439 CD GLN A 27 6.719 -12.180 58.601 1.00 54.30 C ATOM 440 OE1 GLN A 27 6.476 -13.343 58.923 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.285 -11.712 57.459 1.00 5.41 N ATOM 0 H GLN A 27 8.323 -11.464 62.177 1.00 53.11 H new ATOM 0 HA GLN A 27 7.883 -9.006 60.888 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.104 -11.461 61.171 1.00 64.43 H new ATOM 0 HB3 GLN A 27 5.759 -10.123 60.092 1.00 64.43 H new ATOM 0 HG2 GLN A 27 7.987 -10.475 58.967 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.298 -11.834 60.028 1.00 31.30 H new ATOM 0 HE21 GLN A 27 6.487 -10.748 57.193 1.00 5.41 H new ATOM 0 HE22 GLN A 27 5.745 -12.311 56.835 1.00 5.41 H new ATOM 450 N ARG A 28 6.043 -9.574 63.539 1.00 62.14 N ATOM 451 CA ARG A 28 5.111 -8.938 64.450 1.00 4.15 C ATOM 452 C ARG A 28 5.640 -7.588 64.891 1.00 35.40 C ATOM 453 O ARG A 28 4.882 -6.629 65.013 1.00 32.24 O ATOM 454 CB ARG A 28 4.902 -9.824 65.677 1.00 51.12 C ATOM 455 CG ARG A 28 4.257 -11.141 65.251 1.00 62.14 C ATOM 456 CD ARG A 28 3.964 -11.980 66.491 1.00 71.02 C ATOM 457 NE ARG A 28 3.527 -13.318 66.101 1.00 31.13 N ATOM 458 CZ ARG A 28 3.663 -14.357 66.919 1.00 54.21 C ATOM 459 NH1 ARG A 28 4.194 -14.193 68.100 1.00 41.20 N ATOM 460 NH2 ARG A 28 3.265 -15.541 66.542 1.00 12.35 N ATOM 0 H ARG A 28 6.396 -10.481 63.843 1.00 62.14 H new ATOM 0 HA ARG A 28 4.162 -8.796 63.933 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.857 -10.016 66.167 1.00 51.12 H new ATOM 0 HB3 ARG A 28 4.268 -9.315 66.403 1.00 51.12 H new ATOM 0 HG2 ARG A 28 3.335 -10.948 64.702 1.00 62.14 H new ATOM 0 HG3 ARG A 28 4.921 -11.684 64.578 1.00 62.14 H new ATOM 0 HD2 ARG A 28 4.857 -12.048 67.113 1.00 71.02 H new ATOM 0 HD3 ARG A 28 3.193 -11.498 67.092 1.00 71.02 H new ATOM 0 HE ARG A 28 3.109 -13.458 65.181 1.00 31.13 H new ATOM 0 HH11 ARG A 28 4.505 -13.267 68.395 1.00 41.20 H new ATOM 0 HH12 ARG A 28 4.298 -14.990 68.727 1.00 41.20 H new ATOM 0 HH21 ARG A 28 2.849 -15.670 65.619 1.00 12.35 H new ATOM 0 HH22 ARG A 28 3.369 -16.338 67.170 1.00 12.35 H new ATOM 474 N ASN A 29 6.950 -7.503 65.101 1.00 24.15 N ATOM 475 CA ASN A 29 7.537 -6.239 65.502 1.00 60.44 C ATOM 476 C ASN A 29 7.244 -5.163 64.488 1.00 75.34 C ATOM 477 O ASN A 29 7.028 -4.007 64.851 1.00 70.51 O ATOM 478 CB ASN A 29 9.048 -6.372 65.685 1.00 73.24 C ATOM 479 CG ASN A 29 9.343 -7.319 66.834 1.00 64.23 C ATOM 480 OD1 ASN A 29 10.163 -8.229 66.706 1.00 23.13 O ATOM 481 ND2 ASN A 29 8.726 -7.136 67.968 1.00 22.23 N ATOM 0 H ASN A 29 7.608 -8.276 65.002 1.00 24.15 H new ATOM 0 HA ASN A 29 7.089 -5.958 66.455 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.504 -6.745 64.768 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.487 -5.395 65.885 1.00 73.24 H new ATOM 0 HD21 ASN A 29 8.921 -7.749 68.759 1.00 22.23 H new ATOM 0 HD22 ASN A 29 8.049 -6.379 68.064 1.00 22.23 H new ATOM 488 N GLY A 30 7.238 -5.524 63.212 1.00 62.31 N ATOM 489 CA GLY A 30 6.970 -4.511 62.214 1.00 31.33 C ATOM 490 C GLY A 30 5.611 -3.861 62.446 1.00 73.22 C ATOM 491 O GLY A 30 5.491 -2.638 62.386 1.00 3.32 O ATOM 0 H GLY A 30 7.408 -6.466 62.859 1.00 62.31 H new ATOM 0 HA2 GLY A 30 7.750 -3.751 62.244 1.00 31.33 H new ATOM 0 HA3 GLY A 30 6.998 -4.958 61.220 1.00 31.33 H new ATOM 495 N PHE A 31 4.587 -4.669 62.748 1.00 73.50 N ATOM 496 CA PHE A 31 3.273 -4.095 63.018 1.00 73.42 C ATOM 497 C PHE A 31 3.220 -3.315 64.331 1.00 41.15 C ATOM 498 O PHE A 31 2.674 -2.213 64.378 1.00 74.33 O ATOM 499 CB PHE A 31 2.183 -5.177 63.035 1.00 34.44 C ATOM 500 CG PHE A 31 1.992 -5.752 61.650 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.199 -5.061 60.725 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.603 -6.958 61.283 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.012 -5.574 59.438 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.416 -7.471 59.991 1.00 64.45 C ATOM 505 CZ PHE A 31 1.619 -6.778 59.070 1.00 32.21 C ATOM 0 H PHE A 31 4.642 -5.686 62.809 1.00 73.50 H new ATOM 0 HA PHE A 31 3.087 -3.396 62.203 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.459 -5.970 63.730 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.245 -4.752 63.392 1.00 34.44 H new ATOM 0 HD1 PHE A 31 0.731 -4.129 61.007 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.217 -7.492 61.993 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.398 -5.040 58.728 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.886 -8.400 59.706 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.474 -7.174 58.076 1.00 32.21 H new ATOM 515 N ILE A 32 3.757 -3.902 65.408 1.00 5.31 N ATOM 516 CA ILE A 32 3.711 -3.230 66.704 1.00 13.12 C ATOM 517 C ILE A 32 4.464 -1.910 66.708 1.00 53.33 C ATOM 518 O ILE A 32 3.957 -0.905 67.203 1.00 22.52 O ATOM 519 CB ILE A 32 4.288 -4.137 67.806 1.00 3.21 C ATOM 520 CG1 ILE A 32 3.563 -5.497 67.864 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.137 -3.439 69.157 1.00 2.52 C ATOM 522 CD1 ILE A 32 2.041 -5.323 67.831 1.00 12.55 C ATOM 0 H ILE A 32 4.215 -4.814 65.407 1.00 5.31 H new ATOM 0 HA ILE A 32 2.660 -3.019 66.901 1.00 13.12 H new ATOM 0 HB ILE A 32 5.338 -4.320 67.577 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.878 -6.115 67.023 1.00 51.24 H new ATOM 0 HG13 ILE A 32 3.850 -6.025 68.773 1.00 51.24 H new ATOM 0 HG21 ILE A 32 4.544 -4.076 69.943 1.00 2.52 H new ATOM 0 HG22 ILE A 32 4.678 -2.493 69.140 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.082 -3.250 69.353 1.00 2.52 H new ATOM 0 HD11 ILE A 32 1.562 -6.301 67.873 1.00 12.55 H new ATOM 0 HD12 ILE A 32 1.724 -4.727 68.687 1.00 12.55 H new ATOM 0 HD13 ILE A 32 1.752 -4.817 66.909 1.00 12.55 H new ATOM 534 N GLN A 33 5.681 -1.901 66.171 1.00 33.25 N ATOM 535 CA GLN A 33 6.444 -0.663 66.164 1.00 44.43 C ATOM 536 C GLN A 33 5.721 0.403 65.346 1.00 41.02 C ATOM 537 O GLN A 33 5.671 1.580 65.723 1.00 62.52 O ATOM 538 CB GLN A 33 7.833 -0.936 65.585 1.00 11.33 C ATOM 539 CG GLN A 33 8.570 -1.901 66.518 1.00 23.13 C ATOM 540 CD GLN A 33 9.946 -2.244 65.958 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.241 -1.941 64.802 1.00 3.21 O ATOM 542 NE2 GLN A 33 10.793 -2.906 66.700 1.00 22.34 N ATOM 0 H GLN A 33 6.144 -2.706 65.750 1.00 33.25 H new ATOM 0 HA GLN A 33 6.545 -0.292 67.184 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.749 -1.365 64.587 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.391 -0.005 65.486 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.675 -1.451 67.505 1.00 23.13 H new ATOM 0 HG3 GLN A 33 7.985 -2.812 66.643 1.00 23.13 H new ATOM 0 HE21 GLN A 33 10.546 -3.156 67.658 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.702 -3.173 66.322 1.00 22.34 H new ATOM 551 N SER A 34 5.128 -0.033 64.237 1.00 11.43 N ATOM 552 CA SER A 34 4.374 0.868 63.382 1.00 62.44 C ATOM 553 C SER A 34 3.198 1.474 64.128 1.00 44.14 C ATOM 554 O SER A 34 2.841 2.634 63.920 1.00 31.42 O ATOM 555 CB SER A 34 3.867 0.118 62.151 1.00 73.44 C ATOM 556 OG SER A 34 3.281 1.044 61.246 1.00 55.11 O ATOM 0 H SER A 34 5.157 -1.000 63.914 1.00 11.43 H new ATOM 0 HA SER A 34 5.039 1.674 63.072 1.00 62.44 H new ATOM 0 HB2 SER A 34 4.689 -0.410 61.668 1.00 73.44 H new ATOM 0 HB3 SER A 34 3.135 -0.634 62.445 1.00 73.44 H new ATOM 0 HG SER A 34 2.956 0.567 60.454 1.00 55.11 H new ATOM 562 N LEU A 35 2.577 0.660 64.979 1.00 61.32 N ATOM 563 CA LEU A 35 1.415 1.109 65.726 1.00 34.02 C ATOM 564 C LEU A 35 1.740 2.321 66.583 1.00 42.43 C ATOM 565 O LEU A 35 0.935 3.247 66.688 1.00 22.40 O ATOM 566 CB LEU A 35 0.938 -0.045 66.625 1.00 22.42 C ATOM 567 CG LEU A 35 -0.347 0.323 67.387 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.550 0.346 66.438 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.589 -0.723 68.481 1.00 41.21 C ATOM 0 H LEU A 35 2.859 -0.303 65.164 1.00 61.32 H new ATOM 0 HA LEU A 35 0.634 1.399 65.023 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.759 -0.931 66.016 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.723 -0.301 67.337 1.00 22.42 H new ATOM 0 HG LEU A 35 -0.229 1.314 67.825 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.449 0.608 66.996 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.381 1.085 65.654 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.677 -0.638 65.988 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.498 -0.473 69.029 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.699 -1.707 68.026 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.257 -0.734 69.168 1.00 41.21 H new ATOM 581 N LYS A 36 2.914 2.319 67.200 1.00 14.21 N ATOM 582 CA LYS A 36 3.288 3.442 68.037 1.00 33.34 C ATOM 583 C LYS A 36 3.345 4.738 67.235 1.00 11.12 C ATOM 584 O LYS A 36 2.902 5.788 67.703 1.00 20.33 O ATOM 585 CB LYS A 36 4.649 3.167 68.687 1.00 73.11 C ATOM 586 CG LYS A 36 4.987 4.279 69.685 1.00 31.42 C ATOM 587 CD LYS A 36 6.372 4.021 70.281 1.00 4.15 C ATOM 588 CE LYS A 36 6.647 5.034 71.395 1.00 25.42 C ATOM 589 NZ LYS A 36 6.574 6.415 70.840 1.00 71.12 N ATOM 0 H LYS A 36 3.605 1.572 67.138 1.00 14.21 H new ATOM 0 HA LYS A 36 2.529 3.561 68.810 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.630 2.203 69.196 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.422 3.107 67.921 1.00 73.11 H new ATOM 0 HG2 LYS A 36 4.968 5.248 69.187 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.238 4.313 70.477 1.00 31.42 H new ATOM 0 HD2 LYS A 36 6.426 3.007 70.676 1.00 4.15 H new ATOM 0 HD3 LYS A 36 7.134 4.102 69.506 1.00 4.15 H new ATOM 0 HE2 LYS A 36 5.919 4.914 72.198 1.00 25.42 H new ATOM 0 HE3 LYS A 36 7.631 4.856 71.828 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 6.987 7.085 71.520 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 7.104 6.458 69.946 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 5.580 6.667 70.665 1.00 71.12 H new ATOM 603 N ASP A 37 3.914 4.663 66.030 1.00 24.34 N ATOM 604 CA ASP A 37 4.039 5.855 65.193 1.00 34.10 C ATOM 605 C ASP A 37 2.694 6.483 64.815 1.00 0.00 C ATOM 606 O ASP A 37 2.558 7.706 64.804 1.00 4.30 O ATOM 607 CB ASP A 37 4.800 5.494 63.917 1.00 73.02 C ATOM 608 CG ASP A 37 6.243 5.135 64.255 1.00 31.53 C ATOM 609 OD1 ASP A 37 6.651 5.398 65.375 1.00 40.14 O ATOM 610 OD2 ASP A 37 6.920 4.603 63.391 1.00 72.31 O ATOM 0 H ASP A 37 4.288 3.808 65.619 1.00 24.34 H new ATOM 0 HA ASP A 37 4.578 6.597 65.782 1.00 34.10 H new ATOM 0 HB2 ASP A 37 4.315 4.654 63.419 1.00 73.02 H new ATOM 0 HB3 ASP A 37 4.779 6.333 63.221 1.00 73.02 H new ATOM 615 N ASP A 38 1.704 5.643 64.492 1.00 14.53 N ATOM 616 CA ASP A 38 0.374 6.137 64.096 1.00 52.01 C ATOM 617 C ASP A 38 -0.758 5.373 64.787 1.00 55.12 C ATOM 618 O ASP A 38 -1.420 4.568 64.132 1.00 54.45 O ATOM 619 CB ASP A 38 0.225 5.989 62.581 1.00 64.33 C ATOM 620 CG ASP A 38 1.488 6.483 61.886 1.00 75.33 C ATOM 621 OD1 ASP A 38 2.429 5.711 61.794 1.00 43.12 O ATOM 622 OD2 ASP A 38 1.498 7.624 61.458 1.00 43.15 O ATOM 0 H ASP A 38 1.794 4.627 64.496 1.00 14.53 H new ATOM 0 HA ASP A 38 0.300 7.181 64.399 1.00 52.01 H new ATOM 0 HB2 ASP A 38 0.043 4.945 62.325 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -0.638 6.558 62.234 1.00 64.33 H new ATOM 627 N PRO A 39 -1.025 5.564 66.054 1.00 2.35 N ATOM 628 CA PRO A 39 -2.133 4.806 66.704 1.00 63.52 C ATOM 629 C PRO A 39 -3.484 5.054 66.013 1.00 2.21 C ATOM 630 O PRO A 39 -4.346 4.176 65.985 1.00 61.23 O ATOM 631 CB PRO A 39 -2.124 5.309 68.165 1.00 53.14 C ATOM 632 CG PRO A 39 -1.350 6.597 68.143 1.00 51.34 C ATOM 633 CD PRO A 39 -0.351 6.481 66.989 1.00 64.23 C ATOM 0 HA PRO A 39 -1.992 3.727 66.639 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -3.138 5.467 68.532 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.656 4.581 68.827 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -2.016 7.448 67.996 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.833 6.756 69.090 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.151 7.449 66.530 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.607 6.083 67.324 1.00 64.23 H new ATOM 641 N SER A 40 -3.653 6.248 65.443 1.00 4.33 N ATOM 642 CA SER A 40 -4.892 6.589 64.737 1.00 13.21 C ATOM 643 C SER A 40 -5.151 5.649 63.562 1.00 51.10 C ATOM 644 O SER A 40 -6.293 5.316 63.247 1.00 32.13 O ATOM 645 CB SER A 40 -4.817 8.026 64.226 1.00 51.14 C ATOM 646 OG SER A 40 -6.078 8.399 63.685 1.00 23.14 O ATOM 0 H SER A 40 -2.954 6.991 65.455 1.00 4.33 H new ATOM 0 HA SER A 40 -5.715 6.484 65.444 1.00 13.21 H new ATOM 0 HB2 SER A 40 -4.544 8.699 65.038 1.00 51.14 H new ATOM 0 HB3 SER A 40 -4.042 8.113 63.465 1.00 51.14 H new ATOM 0 HG SER A 40 -6.033 9.322 63.358 1.00 23.14 H new ATOM 652 N GLN A 41 -4.069 5.256 62.905 1.00 64.11 N ATOM 653 CA GLN A 41 -4.133 4.381 61.735 1.00 21.21 C ATOM 654 C GLN A 41 -4.178 2.912 62.119 1.00 63.34 C ATOM 655 O GLN A 41 -4.038 2.047 61.259 1.00 64.12 O ATOM 656 CB GLN A 41 -2.909 4.631 60.848 1.00 4.21 C ATOM 657 CG GLN A 41 -2.837 6.110 60.459 1.00 53.11 C ATOM 658 CD GLN A 41 -4.080 6.495 59.664 1.00 73.40 C ATOM 659 OE1 GLN A 41 -4.430 5.816 58.701 1.00 23.22 O ATOM 660 NE2 GLN A 41 -4.776 7.541 60.007 1.00 31.31 N ATOM 0 H GLN A 41 -3.122 5.532 63.165 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.053 4.614 61.199 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.001 4.341 61.377 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -2.967 4.013 59.952 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -2.760 6.728 61.354 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -1.942 6.296 59.865 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.488 8.106 60.806 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -5.610 7.795 59.477 1.00 31.31 H new ATOM 669 N SER A 42 -4.323 2.622 63.404 1.00 22.41 N ATOM 670 CA SER A 42 -4.310 1.232 63.841 1.00 32.10 C ATOM 671 C SER A 42 -5.408 0.412 63.185 1.00 23.14 C ATOM 672 O SER A 42 -5.211 -0.778 62.937 1.00 21.14 O ATOM 673 CB SER A 42 -4.505 1.176 65.352 1.00 2.01 C ATOM 674 OG SER A 42 -5.825 1.599 65.670 1.00 23.11 O ATOM 0 H SER A 42 -4.448 3.310 64.146 1.00 22.41 H new ATOM 0 HA SER A 42 -3.348 0.810 63.551 1.00 32.10 H new ATOM 0 HB2 SER A 42 -4.338 0.162 65.715 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.776 1.816 65.849 1.00 2.01 H new ATOM 0 HG SER A 42 -5.820 2.556 65.881 1.00 23.11 H new ATOM 680 N ALA A 43 -6.546 1.012 62.868 1.00 65.21 N ATOM 681 CA ALA A 43 -7.575 0.226 62.213 1.00 63.33 C ATOM 682 C ALA A 43 -7.076 -0.216 60.840 1.00 54.34 C ATOM 683 O ALA A 43 -7.264 -1.367 60.429 1.00 22.33 O ATOM 684 CB ALA A 43 -8.848 1.059 62.055 1.00 1.04 C ATOM 0 H ALA A 43 -6.773 1.991 63.043 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.799 -0.651 62.820 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.615 0.461 61.562 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.204 1.369 63.037 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.633 1.941 61.452 1.00 1.04 H new ATOM 690 N ASN A 44 -6.414 0.710 60.145 1.00 0.42 N ATOM 691 CA ASN A 44 -5.863 0.415 58.831 1.00 64.12 C ATOM 692 C ASN A 44 -4.840 -0.715 58.890 1.00 64.33 C ATOM 693 O ASN A 44 -4.783 -1.560 57.996 1.00 73.11 O ATOM 694 CB ASN A 44 -5.219 1.683 58.266 1.00 33.42 C ATOM 695 CG ASN A 44 -6.282 2.770 58.122 1.00 41.31 C ATOM 696 OD1 ASN A 44 -7.410 2.484 57.722 1.00 74.23 O ATOM 697 ND2 ASN A 44 -6.001 4.002 58.451 1.00 54.12 N ATOM 0 H ASN A 44 -6.250 1.662 60.471 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.673 0.085 58.180 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.421 2.024 58.926 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -4.764 1.473 57.298 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -6.716 4.726 58.376 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -5.066 4.241 58.783 1.00 54.12 H new ATOM 704 N LEU A 45 -4.036 -0.730 59.956 1.00 41.32 N ATOM 705 CA LEU A 45 -3.028 -1.772 60.118 1.00 63.54 C ATOM 706 C LEU A 45 -3.673 -3.140 60.243 1.00 61.15 C ATOM 707 O LEU A 45 -3.130 -4.141 59.776 1.00 54.24 O ATOM 708 CB LEU A 45 -2.168 -1.516 61.365 1.00 51.25 C ATOM 709 CG LEU A 45 -1.470 -0.147 61.292 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.534 -0.003 62.498 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.652 -0.024 59.994 1.00 11.44 C ATOM 0 H LEU A 45 -4.064 -0.042 60.708 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.397 -1.749 59.230 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.794 -1.560 62.256 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.420 -2.303 61.461 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.225 0.639 61.302 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.033 0.964 62.457 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.113 -0.073 63.419 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.211 -0.798 62.477 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.166 0.951 59.961 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.105 -0.808 59.965 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.315 -0.128 59.135 1.00 11.44 H new ATOM 723 N LEU A 46 -4.821 -3.182 60.910 1.00 71.41 N ATOM 724 CA LEU A 46 -5.503 -4.446 61.126 1.00 61.10 C ATOM 725 C LEU A 46 -5.840 -5.118 59.804 1.00 31.50 C ATOM 726 O LEU A 46 -5.696 -6.332 59.664 1.00 54.02 O ATOM 727 CB LEU A 46 -6.792 -4.158 61.916 1.00 60.53 C ATOM 728 CG LEU A 46 -7.466 -5.467 62.411 1.00 44.45 C ATOM 729 CD1 LEU A 46 -8.307 -5.174 63.665 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.398 -6.061 61.332 1.00 0.20 C ATOM 0 H LEU A 46 -5.291 -2.367 61.304 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.854 -5.123 61.681 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.561 -3.522 62.770 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.489 -3.605 61.286 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.675 -6.183 62.634 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -8.779 -6.094 64.010 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -7.663 -4.780 64.451 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -9.076 -4.440 63.424 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.854 -6.976 61.709 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -9.178 -5.340 61.088 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -7.820 -6.286 60.436 1.00 0.20 H new ATOM 742 N ALA A 47 -6.270 -4.329 58.823 1.00 34.35 N ATOM 743 CA ALA A 47 -6.600 -4.901 57.524 1.00 53.05 C ATOM 744 C ALA A 47 -5.371 -5.459 56.807 1.00 12.35 C ATOM 745 O ALA A 47 -5.431 -6.514 56.181 1.00 23.24 O ATOM 746 CB ALA A 47 -7.255 -3.834 56.647 1.00 33.42 C ATOM 0 H ALA A 47 -6.395 -3.320 58.899 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.287 -5.729 57.697 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.502 -4.263 55.676 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -8.166 -3.477 57.128 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.565 -3.001 56.512 1.00 33.42 H new ATOM 752 N GLU A 48 -4.266 -4.724 56.877 1.00 4.11 N ATOM 753 CA GLU A 48 -3.040 -5.147 56.210 1.00 71.31 C ATOM 754 C GLU A 48 -2.432 -6.424 56.787 1.00 53.14 C ATOM 755 O GLU A 48 -1.832 -7.210 56.054 1.00 1.34 O ATOM 756 CB GLU A 48 -2.006 -4.022 56.292 1.00 1.10 C ATOM 757 CG GLU A 48 -2.506 -2.808 55.506 1.00 43.35 C ATOM 758 CD GLU A 48 -1.453 -1.705 55.525 1.00 0.13 C ATOM 759 OE1 GLU A 48 -0.489 -1.846 56.259 1.00 22.11 O ATOM 760 OE2 GLU A 48 -1.626 -0.734 54.806 1.00 1.25 O ATOM 0 H GLU A 48 -4.194 -3.841 57.383 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.311 -5.367 55.177 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.833 -3.748 57.333 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -1.052 -4.361 55.889 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -2.725 -3.095 54.478 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -3.436 -2.442 55.940 1.00 43.35 H new ATOM 767 N ALA A 49 -2.525 -6.603 58.106 1.00 33.23 N ATOM 768 CA ALA A 49 -1.897 -7.770 58.724 1.00 2.00 C ATOM 769 C ALA A 49 -2.512 -9.098 58.295 1.00 71.01 C ATOM 770 O ALA A 49 -1.785 -10.047 57.999 1.00 35.52 O ATOM 771 CB ALA A 49 -1.991 -7.647 60.245 1.00 23.43 C ATOM 0 H ALA A 49 -3.012 -5.978 58.748 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.861 -7.779 58.387 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.524 -8.515 60.710 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.478 -6.742 60.569 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -3.039 -7.596 60.542 1.00 23.43 H new ATOM 777 N LYS A 50 -3.838 -9.179 58.251 1.00 4.25 N ATOM 778 CA LYS A 50 -4.467 -10.425 57.838 1.00 23.31 C ATOM 779 C LYS A 50 -4.180 -10.735 56.376 1.00 72.12 C ATOM 780 O LYS A 50 -3.972 -11.890 55.999 1.00 75.31 O ATOM 781 CB LYS A 50 -5.979 -10.383 58.095 1.00 25.20 C ATOM 782 CG LYS A 50 -6.650 -9.384 57.152 1.00 15.54 C ATOM 783 CD LYS A 50 -8.133 -9.266 57.513 1.00 73.13 C ATOM 784 CE LYS A 50 -8.872 -8.525 56.398 1.00 33.33 C ATOM 785 NZ LYS A 50 -8.911 -9.379 55.177 1.00 30.21 N ATOM 0 H LYS A 50 -4.479 -8.422 58.488 1.00 4.25 H new ATOM 0 HA LYS A 50 -4.037 -11.226 58.439 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.407 -11.375 57.950 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.171 -10.102 59.130 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.166 -8.410 57.231 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.540 -9.712 56.118 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.564 -10.257 57.653 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.247 -8.732 58.457 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -9.885 -8.282 56.718 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.372 -7.582 56.180 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -9.735 -9.119 54.598 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -8.041 -9.236 54.626 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -8.985 -10.379 55.455 1.00 30.21 H new ATOM 799 N LYS A 51 -4.195 -9.692 55.550 1.00 23.43 N ATOM 800 CA LYS A 51 -3.963 -9.861 54.124 1.00 54.50 C ATOM 801 C LYS A 51 -2.595 -10.467 53.827 1.00 75.32 C ATOM 802 O LYS A 51 -2.472 -11.343 52.970 1.00 61.01 O ATOM 803 CB LYS A 51 -4.076 -8.490 53.451 1.00 24.15 C ATOM 804 CG LYS A 51 -3.974 -8.626 51.931 1.00 5.50 C ATOM 805 CD LYS A 51 -4.029 -7.231 51.304 1.00 53.11 C ATOM 806 CE LYS A 51 -4.081 -7.358 49.783 1.00 31.35 C ATOM 807 NZ LYS A 51 -4.250 -6.007 49.176 1.00 54.42 N ATOM 0 H LYS A 51 -4.364 -8.730 55.843 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.710 -10.552 53.734 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -5.026 -8.026 53.717 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -3.287 -7.833 53.817 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -3.044 -9.125 51.659 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -4.789 -9.242 51.552 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -4.905 -6.693 51.665 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -3.155 -6.652 51.602 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -3.166 -7.822 49.415 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -4.907 -8.006 49.490 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -4.285 -6.094 48.140 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -5.135 -5.581 49.518 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -3.448 -5.402 49.446 1.00 54.42 H new ATOM 821 N LEU A 52 -1.567 -10.005 54.534 1.00 14.24 N ATOM 822 CA LEU A 52 -0.226 -10.531 54.316 1.00 55.12 C ATOM 823 C LEU A 52 -0.168 -12.020 54.634 1.00 73.34 C ATOM 824 O LEU A 52 0.520 -12.788 53.963 1.00 73.02 O ATOM 825 CB LEU A 52 0.791 -9.762 55.176 1.00 71.21 C ATOM 826 CG LEU A 52 2.229 -10.225 54.865 1.00 72.12 C ATOM 827 CD1 LEU A 52 2.661 -9.738 53.468 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.180 -9.639 55.917 1.00 45.20 C ATOM 0 H LEU A 52 -1.635 -9.281 55.249 1.00 14.24 H new ATOM 0 HA LEU A 52 0.027 -10.398 53.264 1.00 55.12 H new ATOM 0 HB2 LEU A 52 0.699 -8.692 54.987 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.574 -9.919 56.233 1.00 71.21 H new ATOM 0 HG LEU A 52 2.264 -11.314 54.886 1.00 72.12 H new ATOM 0 HD11 LEU A 52 3.678 -10.073 53.264 1.00 53.43 H new ATOM 0 HD12 LEU A 52 1.987 -10.147 52.716 1.00 53.43 H new ATOM 0 HD13 LEU A 52 2.624 -8.649 53.435 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.200 -9.961 55.705 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.130 -8.551 55.887 1.00 45.20 H new ATOM 0 HD23 LEU A 52 2.887 -9.989 56.907 1.00 45.20 H new ATOM 840 N ASN A 53 -0.880 -12.408 55.688 1.00 30.55 N ATOM 841 CA ASN A 53 -0.890 -13.798 56.125 1.00 12.22 C ATOM 842 C ASN A 53 -1.345 -14.758 55.034 1.00 20.35 C ATOM 843 O ASN A 53 -0.819 -15.867 54.927 1.00 22.15 O ATOM 844 CB ASN A 53 -1.807 -13.945 57.340 1.00 4.55 C ATOM 845 CG ASN A 53 -1.602 -15.312 57.984 1.00 21.40 C ATOM 846 OD1 ASN A 53 -0.829 -16.125 57.480 1.00 11.02 O ATOM 847 ND2 ASN A 53 -2.251 -15.615 59.075 1.00 12.51 N ATOM 0 H ASN A 53 -1.455 -11.782 56.252 1.00 30.55 H new ATOM 0 HA ASN A 53 0.137 -14.060 56.381 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.596 -13.157 58.063 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.848 -13.829 57.037 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -2.118 -16.527 59.511 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -2.892 -14.939 59.492 1.00 12.51 H new ATOM 854 N ASP A 54 -2.336 -14.357 54.244 1.00 50.01 N ATOM 855 CA ASP A 54 -2.831 -15.248 53.206 1.00 62.34 C ATOM 856 C ASP A 54 -1.724 -15.656 52.241 1.00 11.11 C ATOM 857 O ASP A 54 -1.651 -16.814 51.829 1.00 73.25 O ATOM 858 CB ASP A 54 -3.955 -14.563 52.428 1.00 11.40 C ATOM 859 CG ASP A 54 -4.627 -15.562 51.492 1.00 5.23 C ATOM 860 OD1 ASP A 54 -4.283 -16.730 51.558 1.00 12.01 O ATOM 861 OD2 ASP A 54 -5.477 -15.143 50.723 1.00 44.54 O ATOM 0 H ASP A 54 -2.799 -13.450 54.300 1.00 50.01 H new ATOM 0 HA ASP A 54 -3.207 -16.148 53.692 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -4.689 -14.151 53.121 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -3.554 -13.728 51.854 1.00 11.40 H new ATOM 866 N ALA A 55 -0.851 -14.712 51.888 1.00 63.33 N ATOM 867 CA ALA A 55 0.243 -15.033 50.980 1.00 75.40 C ATOM 868 C ALA A 55 1.218 -16.013 51.620 1.00 54.24 C ATOM 869 O ALA A 55 1.725 -16.924 50.965 1.00 42.04 O ATOM 870 CB ALA A 55 0.987 -13.754 50.591 1.00 14.55 C ATOM 0 H ALA A 55 -0.879 -13.744 52.209 1.00 63.33 H new ATOM 0 HA ALA A 55 -0.181 -15.499 50.090 1.00 75.40 H new ATOM 0 HB1 ALA A 55 1.804 -14.000 49.912 1.00 14.55 H new ATOM 0 HB2 ALA A 55 0.298 -13.069 50.097 1.00 14.55 H new ATOM 0 HB3 ALA A 55 1.390 -13.281 51.486 1.00 14.55 H new ATOM 876 N GLN A 56 1.480 -15.805 52.908 1.00 13.12 N ATOM 877 CA GLN A 56 2.402 -16.661 53.643 1.00 70.45 C ATOM 878 C GLN A 56 1.922 -18.109 53.679 1.00 74.21 C ATOM 879 O GLN A 56 2.725 -19.040 53.649 1.00 61.33 O ATOM 880 CB GLN A 56 2.562 -16.142 55.076 1.00 75.40 C ATOM 881 CG GLN A 56 3.142 -14.720 55.067 1.00 42.42 C ATOM 882 CD GLN A 56 4.508 -14.696 54.388 1.00 1.22 C ATOM 883 OE1 GLN A 56 5.376 -15.508 54.708 1.00 75.44 O ATOM 884 NE2 GLN A 56 4.752 -13.807 53.463 1.00 25.51 N ATOM 0 H GLN A 56 1.068 -15.054 53.461 1.00 13.12 H new ATOM 0 HA GLN A 56 3.361 -16.635 53.126 1.00 70.45 H new ATOM 0 HB2 GLN A 56 1.596 -16.145 55.581 1.00 75.40 H new ATOM 0 HB3 GLN A 56 3.218 -16.806 55.639 1.00 75.40 H new ATOM 0 HG2 GLN A 56 2.460 -14.048 54.546 1.00 42.42 H new ATOM 0 HG3 GLN A 56 3.233 -14.353 56.089 1.00 42.42 H new ATOM 0 HE21 GLN A 56 4.032 -13.135 53.199 1.00 25.51 H new ATOM 0 HE22 GLN A 56 5.663 -13.785 53.005 1.00 25.51 H new ATOM 893 N ALA A 57 0.608 -18.289 53.774 1.00 41.45 N ATOM 894 CA ALA A 57 0.039 -19.628 53.848 1.00 3.34 C ATOM 895 C ALA A 57 0.158 -20.365 52.505 1.00 45.42 C ATOM 896 O ALA A 57 -0.202 -19.797 51.474 1.00 70.24 O ATOM 897 CB ALA A 57 -1.443 -19.526 54.228 1.00 15.43 C ATOM 0 H ALA A 57 -0.076 -17.532 53.801 1.00 41.45 H new ATOM 0 HA ALA A 57 0.593 -20.190 54.600 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -1.874 -20.526 54.285 1.00 15.43 H new ATOM 0 HB2 ALA A 57 -1.537 -19.035 55.196 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -1.973 -18.945 53.473 1.00 15.43 H new ATOM 903 N PRO A 58 0.579 -21.620 52.468 1.00 72.22 N ATOM 904 CA PRO A 58 0.624 -22.370 51.179 1.00 5.45 C ATOM 905 C PRO A 58 -0.763 -22.385 50.535 1.00 32.31 C ATOM 906 O PRO A 58 -0.904 -22.556 49.324 1.00 74.14 O ATOM 907 CB PRO A 58 1.064 -23.795 51.576 1.00 52.14 C ATOM 908 CG PRO A 58 1.730 -23.649 52.907 1.00 51.21 C ATOM 909 CD PRO A 58 1.070 -22.447 53.594 1.00 1.22 C ATOM 0 HA PRO A 58 1.301 -21.923 50.452 1.00 5.45 H new ATOM 0 HB2 PRO A 58 0.208 -24.468 51.637 1.00 52.14 H new ATOM 0 HB3 PRO A 58 1.748 -24.215 50.838 1.00 52.14 H new ATOM 0 HG2 PRO A 58 1.607 -24.553 53.504 1.00 51.21 H new ATOM 0 HG3 PRO A 58 2.802 -23.488 52.789 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.254 -22.758 54.247 1.00 1.22 H new ATOM 0 HD3 PRO A 58 1.782 -21.899 54.212 1.00 1.22 H new ATOM 917 N LYS A 59 -1.777 -22.212 51.378 1.00 51.24 N ATOM 918 CA LYS A 59 -3.162 -22.211 50.925 1.00 3.44 C ATOM 919 C LYS A 59 -3.371 -21.170 49.832 1.00 22.42 C ATOM 920 O LYS A 59 -2.386 -20.615 49.374 1.00 61.53 O ATOM 921 CB LYS A 59 -4.084 -21.906 52.109 1.00 35.24 C ATOM 922 CG LYS A 59 -3.961 -23.023 53.150 1.00 25.14 C ATOM 923 CD LYS A 59 -4.966 -22.785 54.280 1.00 31.13 C ATOM 924 CE LYS A 59 -4.754 -23.828 55.381 1.00 53.14 C ATOM 925 NZ LYS A 59 -4.912 -25.196 54.812 1.00 14.35 N ATOM 926 OXT LYS A 59 -4.513 -20.940 49.470 1.00 61.53 O ATOM 0 H LYS A 59 -1.663 -22.070 52.382 1.00 51.24 H new ATOM 0 HA LYS A 59 -3.397 -23.194 50.516 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -3.817 -20.948 52.554 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -5.116 -21.823 51.769 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -4.146 -23.991 52.683 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -2.948 -23.050 53.551 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -4.841 -21.781 54.686 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -5.984 -22.849 53.895 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -3.760 -23.716 55.815 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -5.473 -23.673 56.186 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -5.056 -25.878 55.584 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -5.734 -25.214 54.176 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -4.056 -25.451 54.279 1.00 14.35 H new TER 940 LYS A 59